1,3-dimethyl-7-(2-nitrophenyl)-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-nitrophenyl)-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(2-nitrophenyl)-8-thioxo-9H-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-nitrophenyl)-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-nitrophenyl)-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(2-nitrophenyl)-8-thioxo-9H-purine-2,6-quinone Formula: C13H11N5O4S MolecularWeight: 333.32254

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O4S/c1-15-10-9(11(19)16(2)13(15)20)17(12(23)14-10)7-5-3-4-6-8(7)18(21)22/h3-6H,1-2H3,(H,14,23)